CLT

4-PHENYL-BUTANOIC ACID

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is present as a standalone ligand in 7 entries

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Chemical Component Summary
Name	4-PHENYL-BUTANOIC ACID
Synonyms	GAMMA-PHENYL-BUTYRIC ACID
Identifiers	4-phenylbutanoic acid
Formula	C₁₀ H₁₂ O₂
Molecular Weight	164.201
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)CCCC(=O)O
InChI	InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey	OBKXEAXTFZPCHS-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB06819 ?
Name	Phenylbutyric acid
Groups	approved investigational
Description	Phenylbutyric acid is a fatty acid and a derivative of [butyric acid] naturally produced by colonic bacteria fermentation. It demonstrates a number of cellular and biological effects, such as relieving inflammation and acting as a chemical chaperone.[A249035] It is used to treat genetic metabolic syndromes, neuropathies, and urea cycle disorders.[L386,L42105]
Synonyms	4-phenylbutyrate 4-Phenyl-n-butyric acid 4-phenylbutyric acid ω-Phenylbutanoic acid Sodium phenylbutyrate γ-phenylbutyric acid Benzenebutyric acid ω-phenylbutyric acid Phenylbutyric acid γ-Phenyl-n-butyric acid PBA Phenylbutyrate
Brand Names	Buphenyl Pheburane Relyvrio Sodium Phenylbutyrate Ammonaps Albrioza Krisospb-8696 Olpruva
Indication	Phenylbutyric acid is used for the treatment of various conditions, including urea cycle disorders, neonatal-onset deficiency, late-onset deficiency disease in patients with a history of hyperammonemic encephalopathy. Phenylbutyric acid must be combined with dietary protein restriction and, in some cases, essential amino acid supplementation.[L386] Phenylbutyric acid, as sodium phenylbutyrate, is used in combination with [tauroursodeoxycholic acid] to treat amyotrophic lateral sclerosis (ALS) in adults.[L42105,L43473]
Categories	Acids, Carbocyclic Alimentary Tract and Metabolism Ammonium Ion Binding Activity Antineoplastic Agents Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Nitrogen Binding Agent Urea Cycle Disorder Agents Various Alimentary Tract and Metabolism Products
ATC-Code	A16AX03
CAS number	1821-12-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aromatic-amino-acid aminotransferase	MLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...	unknown
Histone deacetylase	MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRK...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682